{4-carboxymethyl-7-[2-(carboxymethyl-amino)-3-(4-isothiocyanato-phenyl)-propyl]-[1,4,7]-triazonan-1-yl}-acetic acid

Base Information

• Chemical Name: {4-carboxymethyl-7-[2-(carboxymethyl-amino)-3-(4-isothiocyanato-phenyl)-propyl]-[1,4,7]-triazonan-1-yl}-acetic acid
• CAS No.: 1041634-52-9
• Molecular Formula: C₂₂H₃₁N₅O₆S
• Molecular Weight: 493.584
• Mol file: 1041634-52-9.mol

Synonyms:{4-carboxymethyl-7-[2-(carboxymethyl-amino)-3-(4-isothiocyanato-phenyl)-propyl]-[1,4,7]-triazonan-1-yl}-acetic acid

Chemical Property of {4-carboxymethyl-7-[2-(carboxymethyl-amino)-3-(4-isothiocyanato-phenyl)-propyl]-[1,4,7]-triazonan-1-yl}-acetic acid

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of {4-carboxymethyl-7-[2-(carboxymethyl-amino)-3-(4-isothiocyanato-phenyl)-propyl]-[1,4,7]-triazonan-1-yl}-acetic acid

There total 7 articles about {4-carboxymethyl-7-[2-(carboxymethyl-amino)-3-(4-isothiocyanato-phenyl)-propyl]-[1,4,7]-triazonan-1-yl}-acetic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 88.0%

thiophosgene (463-71-8) + {4-[3-(4-amino-phenyl)-2-(carboxymethyl-amino)-propyl]-7-carboxymethyl-[1,4,7]triazonan-1-yl}-acetic acid (1041634-50-7) → {4-carboxymethyl-7-[2-(carboxymethyl-amino)-3-(4-isothiocyanato-phenyl)-propyl]-[1,4,7]-triazonan-1-yl}-acetic acid (1041634-52-9)

Guidance literature:

In chloroform; water; at 20 ℃; for 2h;

Reference yield:

tert-butyl 2-[benzyl(1-{4,7-bis[2-(tert-butoxy)-2-oxoethyl]-1,4,7-triazonan-1-yl}-3-(4-nitrophenyl)propan-2-yl)amino] acetate (1353022-78-2) → {4-carboxymethyl-7-[2-(carboxymethyl-amino)-3-(4-isothiocyanato-phenyl)-propyl]-[1,4,7]-triazonan-1-yl}-acetic acid (1041634-52-9)

Guidance literature:

Multi-step reaction with 3 steps

1: hydrogenchloride / 1,4-dioxane / 0 - 20 °C

2: palladium 10% on activated carbon; hydrogen / ethanol / 40 h / 20 °C / 3102.97 Torr

3: chloroform; water

With hydrogenchloride; palladium 10% on activated carbon; hydrogen; In 1,4-dioxane; ethanol; chloroform; water;

DOI:10.1002/ejoc.201101063

Reference yield:

tert-butyl {4-tert-butoxycarbonylmethyl-7-[2-(tert-butoxycarbonylmethyl-amino)-3-(4-nitro-phenyl)-propyl]-[1,4,7]-triazonan-1-yl}-acetate → {4-carboxymethyl-7-[2-(carboxymethyl-amino)-3-(4-isothiocyanato-phenyl)-propyl]-[1,4,7]-triazonan-1-yl}-acetic acid (1041634-52-9)

Guidance literature:

Multi-step reaction with 3 steps

1: palladium 10% on activated carbon; hydrogen / methanol / 14 h / 20 °C / 1034.32 Torr

2: hydrogenchloride / 1,4-dioxane / 0 °C

3: water; chloroform / 2 h / 20 °C

With hydrogenchloride; palladium 10% on activated carbon; hydrogen; In 1,4-dioxane; methanol; chloroform; water;

upstream raw materials:

tert-butyl 2-[benzyl(1-{4,7-bis[2-(tert-butoxy)-2-oxoethyl]-1,4,7-triazonan-1-yl}-3-(4-nitrophenyl)propan-2-yl)amino] acetate

thiophosgene

{4-[3-(4-amino-phenyl)-2-(carboxymethyl-amino)-propyl]-7-carboxymethyl-[1,4,7]triazonan-1-yl}-acetic acid

tert-butyl {4-[3-(4-amino-phenyl)-2-(tert-butoxycarbonylmethyl-amino)-propyl]-7-tert-butoxycarbonylmethyl-[1,4,7]triazonan-1-yl}-acetate